Crystallography Open Database

Information card for entry 7231991

7231990 << 7231991 >> 7231992

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Coordinates	7231991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 Co4 O13
Calculated formula	C42.438 H24 Co4 O13
Title of publication	MOF transmetalation beyond cation substitution: defective distortion of IRMOF-9 in the spotlight
Authors of publication	Canossa, Stefano; Fornasari, Luca; Demitri, Nicola; Mattarozzi, Monica; Choquesillo-Lazarte, Duane; Pelagatti, Paolo; Bacchi, Alessia
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	5
Pages of publication	827
a	17.1291 ± 0.0004 Å
b	21.8862 ± 0.0005 Å
c	26.2493 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	9840.6 ± 0.4 Å³
Cell temperature	258 K
Ambient diffraction temperature	258 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.1119
Weighted residual factors for significantly intense reflections	0.3473
Weighted residual factors for all reflections included in the refinement	0.3705
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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